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Basic information
- CAS
5444-02-0- Standard SMILES
Cc1cc(=O)[nH]c(O)c1C#N- InChIKey
YRGYYQCOWUULNF-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.04292744
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
- IUPAC
- 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
- English name
- 3-Cyano-2,6-dihydroxy-4-methylpyridine
- Molecular formula
- C7H6N2O2
- Molecular weight
- 150.13
Names & synonyms
5444-02-02,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-EINECS 226-639-7NSC 19883DTXSID20638901,2-Dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrileRefChem:505111DTXCID60417191,2-Dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile226-639-72,6-Dihydroxy-4-methylnicotinonitrile
Show more names
3-Cyano-2,6-dihydrox3-Cyano-2,6-dihydroxy-4-picoline3-Cyano-4-methyl-2,6-pyridinediol-Cyano-2,6-dihydroxy-4-methylpyridine2,6-dihydroxy-3-cyano-4-methylpyrimidine
6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile3-Cyano-2,6-dihydroxy-4-methylpyridine2,6-dihydroxy-4-methylpyridine-3-carbonitrile2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile2,6-Dihydroxy-3-cyano-4-methylpyridinehUP1-IN-1MFCD000234713-CYANO-6-HYDROXY-4-METHYL-2-PYRIDONE
Database identifiers
- CAS
5444-02-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 315 °C · 315 °C (dec.)(lit.)
- Boiling point
- 339 · 339.0±42.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 3.59 · 3.59±0.58(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- InChI
- 1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
- InChIKey
- YRGYYQCOWUULNF-UHFFFAOYSA-N
- SMILES
- Cc1cc(O)nc(O)c1C#N
- CAS DataBase Reference
- 5444 · 5444-02-0(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-2-oxo- (5444-02-0)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Cyano-2,6-dihydroxy-4-methylpyridine is a synthetic human uridine phosphorylase-1 inhibitor, reduces HepG2 cell proliferation through cell cycle arrest and senescenceis and is used in the synthesis of disperse dyes. Also used in the synthesis of mGluR5 non-competitive antagonists.
Upstream & downstream products
Downstream products
Suppliers100 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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